CID 57941101

Methyl 2-(4-acetylpiperidin-1-yl)acetate

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(=O)C1CCN(CC1)CC(=O)OC

InChI

InChI=1S/C10H17NO3/c1-8(12)9-3-5-11(6-4-9)7-10(13)14-2/h9H,3-7H2,1-2H3

InChIKey

XERGTWLNIAANRY-UHFFFAOYSA-N

Compound name

methyl 2-(4-acetylpiperidin-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 199.12085 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.12813	144.8
[M+Na]+	222.11007	149.6
[M-H]-	198.11357	146.1
[M+NH4]+	217.15467	162.4
[M+K]+	238.08401	149.4
[M+H-H2O]+	182.11811	138.2
[M+HCOO]-	244.11905	162.4
[M+CH3COO]-	258.13470	184.6
[M+Na-2H]-	220.09552	146.4
[M]+	199.12030	143.3
[M]-	199.12140	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe